Information card for entry 2209177

Structure parameters

• Chemical name: Bis[(E)-N'-(2-nitrobenzylidene)-2-oxidobenzohydrazide]bis(pyridine- kN)nickel(II)
• Formula: C38 H30 N8 Ni O8
• Calculated formula: C38 H30 N8 Ni O8
• SMILES: C(c1c(N(=O)=O)cccc1)=[N]1NC(c2c(cccc2)[O-])=[O][Ni]21([N](=Cc1c(N(=O)=O)cccc1)NC(c1c(cccc1)[O-])=[O]2)([n]1ccccc1)[n]1ccccc1
• Title of publication: Bis[(<i>E</i>)-<i>N</i>'-(2-nitrobenzylidene)-2-oxidobenzohydrazide]bis(pyridine-κ<i>N</i>)nickel(II)
• Authors of publication: Qiu, Xiao-Yang; Ma, Ji-Long; Liu, Wei-Sheng; Zhu, Hai-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m1289 - m1290
• a: 14.9148 ± 0.0002 Å
• b: 22.1842 ± 0.0004 Å
• c: 22.4259 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7420.1 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 68
• Hermann-Mauguin space group symbol: C c c a :2
• Hall space group symbol: -C 2a 2ac
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No